4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one

C19H19N3O — CID 2737972

IUPAC4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1CN1CCCC1
InChIInChI=1S/C19H19N3O/c23-19-17-11-5-4-10-16(17)18(15-8-2-1-3-9-15)20-22(19)14-21-12-6-7-13-21/h1-5,8-11H,6-7,12-14H2
InChIKeyDCWUFYKOXDHLTC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.12
Rot. Bonds3

About 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one

4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one (PubChem CID 2737972) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
PubChem CID2737972
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1CN1CCCC1
InChIInChI=1S/C19H19N3O/c23-19-17-11-5-4-10-16(17)18(15-8-2-1-3-9-15)20-22(19)14-21-12-6-7-13-21/h1-5,8-11H,6-7,12-14H2
InChIKeyDCWUFYKOXDHLTC-UHFFFAOYSA-N
XLogP3.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one?
The IUPAC name of 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one (CID 2737972) is 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one.
What is the SMILES notation for 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one?
The canonical SMILES for 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1CN1CCCC1.
What is the InChIKey of 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one?
The InChIKey is DCWUFYKOXDHLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19-17-11-5-4-10-16(17)18(15-8-2-1-3-9-15)20-22(19)14-21-12-6-7-13-21/h1-5,8-11H,6-7,12-14H2.
What are the key properties of 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one?
4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one has a molecular weight of 305.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(pyrrolidin-1-ylmethyl)phthalazin-1-one is sourced from PubChem (CID 2737972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).